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7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHB
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BU of 7chb by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
9H1Z
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BU of 9h1z by Molmil
Cryo-EM Structure of human OAS2 Dimer
Descriptor: 2'-5'-oligoadenylate synthase 2, ZINC ION
Authors:Merold, V.R, Lammens, K, de Oliveira Mann, C.C.
Deposit date:2024-10-10
Release date:2025-05-28
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for OAS2 regulation and its antiviral function.
Mol.Cell, 85, 2025
7X78
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BU of 7x78 by Molmil
L-fuculose 1-phosphate aldolase
Descriptor: L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION
Authors:Lou, X, Zhang, Q, Bartlam, M.
Deposit date:2022-03-09
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 607, 2022
8UZH
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BU of 8uzh by Molmil
SUMO fused Trehalose Synthase (TreS) of Mycobacterium tuberculosis
Descriptor: CALCIUM ION, SUMO fused Trehalose Synthase (TreS),Trehalose synthase/amylase TreS
Authors:Pathirage, R, Ronning, D.R.
Deposit date:2023-11-15
Release date:2024-03-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Targeting Mycobacterium tuberculosis Persistence through Inhibition of the Trehalose Catalytic Shift.
Acs Infect Dis., 10, 2024
6JC4
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BU of 6jc4 by Molmil
Crystal structure of the urease accessory protein UreF from Klebsiella pneumoniae
Descriptor: Urease accessory protein UreF
Authors:Wu, W, Zhang, Q, Bartlam, M.
Deposit date:2019-01-28
Release date:2020-01-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the urease accessory protein UreF from Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 78, 2022
6L94
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BU of 6l94 by Molmil
The structure of the dioxygenase ABH1 from mouse
Descriptor: FE (II) ION, Nucleic acid dioxygenase ALKBH1
Authors:Xie, W, Wang, C, Li, H, Zhang, Y.
Deposit date:2019-11-08
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.10012341 Å)
Cite:ALKBH1 promotes lung cancer by regulating m6A RNA demethylation.
Biochem Pharmacol, 189, 2021
5HH7
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BU of 5hh7 by Molmil
crystal structure of Arabidopsis ORC1b BAH-PHD cassette in complex with unmodified H3 peptide
Descriptor: Histone H3 1-15 peptide, Origin of replication complex subunit 1B, ZINC ION
Authors:Li, S, Du, J.
Deposit date:2016-01-10
Release date:2016-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural Basis for the Unique Multivalent Readout of Unmodified H3 Tail by Arabidopsis ORC1b BAH-PHD Cassette
Structure, 24, 2016
7D3Y
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BU of 7d3y by Molmil
Crystal structure of the osPHR2-osSPX2 complex
Descriptor: INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1
Authors:Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-21
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
7D3T
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BU of 7d3t by Molmil
Crystal structure of OSPHR2 in complex with DNA
Descriptor: DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2
Authors:Guan, Z.Y, Zhang, Z.F, Liu, Z.
Deposit date:2020-09-20
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
5CI9
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BU of 5ci9 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 6
Descriptor: 1-(propan-2-yl)-1H-benzimidazole-5-carboxylic acid, Protein Tob1, SODIUM ION
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
5CI8
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BU of 5ci8 by Molmil
Crystal structure of human Tob in complex with inhibitor fragment 1
Descriptor: Protein Tob1, pyrrolo[1,2-a]quinoxalin-4(5H)-one
Authors:Bai, Y, Tashiro, S, Nagatoishi, S, Suzuki, T, Tsumoto, K, Bartlam, M, Yamamoto, T.
Deposit date:2015-07-11
Release date:2015-11-18
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Structural basis for inhibition of the Tob-CNOT7 interaction by a fragment screening approach
Protein Cell, 6, 2015
9E9H
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BU of 9e9h by Molmil
Crystal structure of human KRAS G12C covalently bound to DEL triazine compound 5
Descriptor: (3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2024-11-08
Release date:2025-02-26
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
9E9I
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BU of 9e9i by Molmil
Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21
Descriptor: 1,2-ETHANEDIOL, 1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2024-11-08
Release date:2025-02-26
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
3F36
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BU of 3f36 by Molmil
Apoferritin: complex with 2-isopropylphenol
Descriptor: 2-(1-methylethyl)phenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F39
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BU of 3f39 by Molmil
Apoferritin: complex with phenol
Descriptor: CADMIUM ION, Ferritin light chain, PHENOL, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F38
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BU of 3f38 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F32
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BU of 3f32 by Molmil
Horse spleen apoferritin
Descriptor: CADMIUM ION, Ferritin light chain, SULFATE ION
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
3F37
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BU of 3f37 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
9DM3
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BU of 9dm3 by Molmil
De novo design of proteins that bind naphthalenediimides, powerful photooxidants with tunable photophysical properties
Descriptor: naphthalenediimide binding protein
Authors:Wu, Y, Mann, S.I, DeGrado, W.F.
Deposit date:2024-09-12
Release date:2025-03-05
Last modified:2025-03-19
Method:SOLUTION NMR
Cite:De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties.
J.Am.Chem.Soc., 147, 2025
4WY4
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BU of 4wy4 by Molmil
Crystal structure of autophagic SNARE complex
Descriptor: Synaptosomal-associated protein 29, Syntaxin-17, Vesicle-associated membrane protein 8
Authors:Zhao, M, Brunger, A.T.
Deposit date:2014-11-15
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:ATG14 promotes membrane tethering and fusion of autophagosomes to endolysosomes.
Nature, 520, 2015
4Z3D
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BU of 4z3d by Molmil
Human carbonyl reductase 1 with glutathione in a protective configuration
Descriptor: Carbonyl reductase [NADPH] 1, GLUTATHIONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Ding, Y, Liang, Q.
Deposit date:2015-03-31
Release date:2015-10-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights on the catalytic site protection of human carbonyl reductase 1 by glutathione.
J.Struct.Biol., 192, 2015
3F35
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BU of 3f35 by Molmil
Apoferritin: complex with 2,6-diethylphenol
Descriptor: 2,6-diethylphenol, CADMIUM ION, Ferritin light chain, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
9EQG
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BU of 9eqg by Molmil
CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with GABA and puerarin
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kasaragod, V.B, Aricescu, A.R.
Deposit date:2024-03-21
Release date:2024-09-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:A brain-to-gut signal controls intestinal fat absorption.
Nature, 634, 2024
4ZHU
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BU of 4zhu by Molmil
Crystal structure of a bacterial repressor protein
Descriptor: SULFATE ION, YfiR
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3968 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015

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